Glycoside
...
GD114110

Name:
None

Formula:
C30H25O7N2ClS

Smiles:
CC(=O)O[C@H]1CO[C@H](n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]c1=S

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 0 FractionCSP3: 0.28
AlogP: 5.4 Num_rotatable_bonds: 6
MolWt: 581.05 Num_heavy_atoms: 40
TPSA: 116.85 NumAromaticRings: 3

Unique Aglycone
AD03426
Formula: C19H11N2ClS

Smiles:
N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]c1=S
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 5.6 Num_rotatable_bonds: 2
MolWt: 322.82 Num_heavy_atoms: 22
TPSA: 39.58 NumAromaticRings: 3

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O